6-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Chemical Structure Depiction of
6-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
6-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | D360-5244 |
| Compound Name: | 6-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1c(C#N)cc2CN(CCc2n1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3384 |
| logD: | 4.3373 |
| logSw: | -4.307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.456 |
| InChI Key: | QOJQXHCVWVWLTM-UHFFFAOYSA-N |